SCHEMBL4527778

SCHEMBL4527778

Brc1ccc(C#CCCc2ccc(CN3CCOCC3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
NPC1 O15118 2/20 0.41
AOC3 Q16853 1/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.40
CCR5 P51681 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4506550 0.89 HRH3 (0.45) HRH3L3MBTL1
SCHEMBL4518384 0.83 MCHR1 (0.53) HRH3NPC1CHEK1ACHETSHR
SCHEMBL4519219 0.81 MCHR1 (0.53) HRH3CHEK1ACHEL3MBTL1
SCHEMBL4504786 0.76 GRM5 (0.35) CHEK1TSHR
SCHEMBL578548 0.73 HRH3 (0.71) HRH3NPC1TSHRCCR5SMN1; SMN2
SCHEMBL4513358 0.72 MCHR1 (0.62) HRH3
SCHEMBL4514132 0.72 MCHR1 (0.65) HRH3CHEK1ACHE
SCHEMBL6813604 0.72 HRH3 (0.69) HRH3NPC1TSHRCCR5SMN1; SMN2
SCHEMBL4517906 0.71 MCHR1 (0.64) HRH3CHEK1ACHE
SCHEMBL14767391 0.71 MCHR1 (0.53) HRH3CHEK1ACHEL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HRH3 153/4885NPC1 1259/4885AOC3 969/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R HRH3 186/4885NPC1 1008/4885AOC3 1024/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.